General Information of the Compound
| Compound ID |
CP0532147
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| Compound Name |
ethyl 13-chloro-5'-oxospiro[4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,4'-azepane]-1'-carboxylate
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| Structure |
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
CCOC(=O)N1CCC(=O)C2(CC1)c1ccc(Cl)cc1CCc1cccnc21
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| InChI |
InChI=1S/C22H23ClN2O3/c1-2-28-21(27)25-12-9-19(26)22(10-13-25)18-8-7-17(23)14-16(18)6-5-15-4-3-11-24-20(15)22/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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| InChIKey |
QLDWVAMHAOOXSJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound